Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]
Ligand
BDBM84461
Substrate
n/a
Meas. Tech.
Inhibiton Activity Assay
Ki
13±0.5 nM
IC50
24±1 nM
Citation
 Brik, A; Muldoon, J; Lin, YC; Elder, JH; Goodsell, DS; Olson, AJ; Fokin, VV; Sharpless, KB; Wong, CH Rapid diversity-oriented synthesis in microtiter plates for in situ screening of HIV protease inhibitors. Chembiochem 4:1246-8 (2003) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]
Synonyms:
HIV-1 protease | HIV-1 protease (G48V) | HIV-1 protease (V82A) | POL_HV1N5 | gag-pol
Type:
Protein
Mol. Mass.:
10827.77
Organism:
Human immunodeficiency virus
Description:
P12497[489-587,G537V,H558K,V571A]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIVGIGGFIKVRQYDQILIEICGKKAIGTVLVGPTPANIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM84461
Synonyms:
HIV-1 PR Inhibitor, compound 8
Type:
Small organic molecule
Emp. Form.:
C37H48N6O7S
Mol. Mass.:
720.878
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r|
Structure:
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